1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid

C15H16N2O3 — CID 61489506

IUPAC1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid
SMILESCN(C(=O)Cn1ccc2c(C(=O)O)cccc21)C1CC1
InChIInChI=1S/C15H16N2O3/c1-16(10-5-6-10)14(18)9-17-8-7-11-12(15(19)20)3-2-4-13(11)17/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,20)
InChIKeyWNPLKXCXQTYTDG-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid

1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid (PubChem CID 61489506) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid
PubChem CID61489506
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid
SMILESCN(C(=O)Cn1ccc2c(C(=O)O)cccc21)C1CC1
InChIInChI=1S/C15H16N2O3/c1-16(10-5-6-10)14(18)9-17-8-7-11-12(15(19)20)3-2-4-13(11)17/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,20)
InChIKeyWNPLKXCXQTYTDG-UHFFFAOYSA-N
XLogP1.96
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61488702
N-cyclopropyl-N-methyl-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165600
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
1-[(Z)-3-chloro-2-methylprop-2-enyl]indole-4-carboxylic acid
CID 106438900
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide
CID 116618964
3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
1-[2-[methyl-(2-phenylcyclohexyl)amino]-2-oxoethyl]indole-3-carboxamide
CID 154850178
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
CID 61488462
2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 66407506

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid (CID 61489506) is 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid is CN(C(=O)Cn1ccc2c(C(=O)O)cccc21)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
The InChIKey is WNPLKXCXQTYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16(10-5-6-10)14(18)9-17-8-7-11-12(15(19)20)3-2-4-13(11)17/h2-4,7-8,10H,5-6,9H2,1H3,(H,19,20).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid?
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid is sourced from PubChem (CID 61489506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).